methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate

C11H14ClNO2 — CID 10331339

IUPACmethyl N-(2-chloro-4-propan-2-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(C(C)C)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-4-5-10(9(12)6-8)13-11(14)15-3/h4-7H,1-3H3,(H,13,14)
InChIKeyPBDMURYSMUQGFT-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.64
Rot. Bonds2

About methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate

methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate (PubChem CID 10331339) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-chloro-4-propan-2-ylphenyl)carbamate
PubChem CID10331339
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl N-(2-chloro-4-propan-2-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(C(C)C)cc1Cl
InChIInChI=1S/C11H14ClNO2/c1-7(2)8-4-5-10(9(12)6-8)13-11(14)15-3/h4-7H,1-3H3,(H,13,14)
InChIKeyPBDMURYSMUQGFT-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
methyl N-[(2-chloro-4-propan-2-ylphenyl)methyl]carbamate
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methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7694345
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
methyl 3-[(2,4-dichlorophenyl)carbamoylamino]-3-(4-propan-2-ylphenyl)propanoate
CID 3718522
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 17102264
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate?
The IUPAC name of methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate (CID 10331339) is methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate?
The canonical SMILES for methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate is COC(=O)Nc1ccc(C(C)C)cc1Cl.
What is the InChIKey of methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate?
The InChIKey is PBDMURYSMUQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)8-4-5-10(9(12)6-8)13-11(14)15-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate?
methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate has a molecular weight of 227.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-chloro-4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 10331339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).